3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide

C18H24N2O4 — CID 113132978

IUPAC3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H24N2O4/c1-13(21)20(9-8-18(22)19-14-4-2-3-5-14)15-6-7-16-17(12-15)24-11-10-23-16/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyQZAYILGBLPKLBO-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.26
Rot. Bonds5

About 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide (PubChem CID 113132978) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
PubChem CID113132978
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H24N2O4/c1-13(21)20(9-8-18(22)19-14-4-2-3-5-14)15-6-7-16-17(12-15)24-11-10-23-16/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyQZAYILGBLPKLBO-UHFFFAOYSA-N
XLogP2.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-methoxypropyl)propanamide
CID 113132984
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
CID 113063025
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzamide
CID 4141786
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132985
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 650001

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide?
The IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide (CID 113132978) is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide is CC(=O)N(CCC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide?
The InChIKey is QZAYILGBLPKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(21)20(9-8-18(22)19-14-4-2-3-5-14)15-6-7-16-17(12-15)24-11-10-23-16/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,22).
What are the key properties of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide?
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide has a molecular weight of 332.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 113132978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).